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2-METHYL-4-THIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-1-CARBALDEHYDE;ROTAMER-1
SpectraBase Compound ID CcA4HqN12zU
InChI InChI=1S/C11H12N2OS/c1-8-6-11(15)12-9-4-2-3-5-10(9)13(8)7-14/h2-5,7-8H,6H2,1H3,(H,12,15)
InChIKey BGQZTYTURNDGDE-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C11H12N2OS
Exact Mass 220.067034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ylYtszLdMt
Name 2-METHYL-4-THIOXO-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE-1-CARBALDEHYDE;ROTAMER-2
Compound Number 1H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N2OS
InChI InChI=1S/C11H12N2OS/c1-8-6-11(15)12-9-4-2-3-5-10(9)13(8)7-14/h2-5,7-8H,6H2,1H3,(H,12,15)
InChIKey BGQZTYTURNDGDE-UHFFFAOYSA-N
Literature Reference Author R.JANCIENE,Z.STUMBREVICIUTE,D.PODENIENE,B.D.PUODZIUNAITE,S.B LACK,M.HUSBANDS
Literature Reference Citation J.HETCYCL.CHEM.,43,979(2006)
Literature Reference DOI 10.1002/jhet.5570430424
Molecular Weight 220.289 g/mol
Sample ID 67607
Solvent CDCl3